1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol

C22H29NO2 — CID 111114119

IUPAC1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c1-18(24)19-12-14-23(15-13-19)16-17-25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3
InChIKeySTTOEYJLNSIDPB-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.89
Rot. Bonds7

About 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol

1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol (PubChem CID 111114119) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
PubChem CID111114119
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c1-18(24)19-12-14-23(15-13-19)16-17-25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3
InChIKeySTTOEYJLNSIDPB-UHFFFAOYSA-N
XLogP3.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;ethane
CID 91244751
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
1-(2-benzhydryloxyethyl)-4-(3-phenylbut-3-enyl)piperazine
CID 24825327

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol (CID 111114119) is 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol is CC(O)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol?
The InChIKey is STTOEYJLNSIDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-18(24)19-12-14-23(15-13-19)16-17-25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18-19,22,24H,12-17H2,1H3.
What are the key properties of 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol?
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol has a molecular weight of 339.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 111114119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).